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Sebacic acid, phenyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, phenyl tridecyl ester
SpectraBase Compound ID BtqGIskcIAn
InChI InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-12-15-21-26-32-28(30)24-19-13-10-11-14-20-25-29(31)33-27-22-17-16-18-23-27/h16-18,22-23H,2-15,19-21,24-26H2,1H3
InChIKey NHSFASKMGGHWQA-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JP1dU0piHrd
Name Sebacic acid, phenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-12-15-21-26-32-28(30)24-19-13-10-11-14-20-25-29(31)33-27-22-17-16-18-23-27/h16-18,22-23H,2-15,19-21,24-26H2,1H3
InChIKey NHSFASKMGGHWQA-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCCCCCCCC)=O